Notably, although TB parameters have been derived from first principles based on the
maximally localized Wannier function [1]}, [2]}, [3]}, [4]}, [5]}, [6]}
or atomic orbitals [7]}, [8]}, [9]}, [10]} constructed from KS states over the years,
attempts to calculate TB parameters in the basis of directed hybrid orbital has been primarily limited so far
to analytical models[11]}, [12]}.
Self-energy corrected TB parameters (SEC-TB) \(\left\lbrace t^{QP}_{\vec{R^{\prime }},\vec{R},i,j} \right\rbrace \)  in the HAWO basis are calculated
by substituting \(E^{KS}_{\vec{k},n}\)  in Eqn.(REF ) by quasi-particle energies \(E^{QP}_{\vec{k},n}\)  obtained at
the \(G_0W_0\)  level of the GW approximation of MBPT[13]}, [14]}.
Efforts have been reported in recent years on incorporating SEC in TB parameters
computed in terms of the MLWFs[15]}, [16]}, [17]}.
<FIGURE>